SCHEMBL1240609

SCHEMBL1240609

CCOC(=O)c1ncccc1OCC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
CHRM4 P08173 2/20 0.46
GPR119 Q8TDV5 3/20 0.46
RBP4 P02753 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
USP30 Q70CQ3 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
SCN9A Q15858 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2B Q13224 1/20 0.41
CHRM2 P08172 1/20 0.41
BCHE P06276 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7521337 0.86 GPR119 (0.51) ALOX5APFEN1GPR119RBP4SCN9A
SCHEMBL1240618 0.81 CHRM4 (0.41) CHRM4RBP4CHRM2
SCHEMBL1240620 0.81 CHRM4 (0.41) CHRM4RBP4CHRM2
SCHEMBL27157756 0.80 RBP4 (0.54) ALOX5APFEN1GPR119RBP4SCN9A
SCHEMBL14592667 0.80 GPR119 (0.52) GPR119NPSR1MAPT
SCHEMBL20744476 0.78 RBP4 (0.54) ALOX5APFEN1GPR119RBP4USP30
SCHEMBL1240310 0.77 CHRM4 (0.38) CHRM4GPR119NPSR1MAPTTP53
SCHEMBL4499579 0.77 RBP4 (0.53) ALOX5APFEN1GPR119RBP4SCN9A
SCHEMBL3113872 0.77 RBP4 (0.71) ALOX5APFEN1GPR119RBP4SCN9A
SCHEMBL3330431 0.77 SCN9A (0.51) ALOX5APFEN1GPR119SCN9ABCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A ALOX5AP 2105/4885FEN1 4804/4885CHRM4 3324/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A ALOX5AP 2105/4885FEN1 4804/4885CHRM4 3324/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.